4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide

C13H14N4O2S — CID 116647246

IUPAC4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide
SMILESCc1ccc(-n2nc(C)c(C#N)c2S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H14N4O2S/c1-8-4-5-12(9(2)6-8)17-13(20(15,18)19)11(7-14)10(3)16-17/h4-6H,1-3H3,(H2,15,18,19)
InChIKeyIXAPGRKZZXXLLC-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.32
Rot. Bonds2

About 4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide

4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide (PubChem CID 116647246) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide
PubChem CID116647246
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide
SMILESCc1ccc(-n2nc(C)c(C#N)c2S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H14N4O2S/c1-8-4-5-12(9(2)6-8)17-13(20(15,18)19)11(7-14)10(3)16-17/h4-6H,1-3H3,(H2,15,18,19)
InChIKeyIXAPGRKZZXXLLC-UHFFFAOYSA-N
XLogP1.32
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-1-(3,5-dimethylphenyl)-3-methylpyrazole-5-sulfonamide
CID 116647252
1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide
CID 116647231
4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide
CID 116647294
4-cyano-3-methyl-1-(3-nitrophenyl)pyrazole-5-sulfonamide
CID 116647241
1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39246638
2-[[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methylidene]propanedinitrile
CID 126002164
1-(2,4-dimethylphenyl)-5-methylpyrazol-4-amine
CID 60865980
2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 116818013
1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39348257
1-(2,4-dimethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117088
2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 116817945
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820

Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide (CID 116647246) is 4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide is Cc1ccc(-n2nc(C)c(C#N)c2S(N)(=O)=O)c(C)c1.
What is the InChIKey of 4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide?
The InChIKey is IXAPGRKZZXXLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-8-4-5-12(9(2)6-8)17-13(20(15,18)19)11(7-14)10(3)16-17/h4-6H,1-3H3,(H2,15,18,19).
What are the key properties of 4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide?
4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 116647246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).